LATEN - A COMPLETE LATTICE ENERGY PROGRAM

被引：14

作者：

JENKINS, HDB ^{[1
]}

PRATT, KF ^{[1
]}

机构：

[1] BRITISH GAS CORP,LONDON RES STN,LONDON,ENGLAND

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1980年 / 21卷 / 02期

关键词：

D O I：

10.1016/0010-4655(80)90044-2

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

引用

页码：257 / 269

页数：13

共 10 条

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[2]

Ewald PP, 1921, ANN PHYS-BERLIN, V64, P253

[3] Interatomic distances in crystals of the alkali halides [J].

Huggins, ML ;

Mayer, JE .

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[4] CALCULATION OF 1ST DERIVATIVES OF MADELUNG CONSTANTS WITH RESPECT TO CELL LENGTHS [J].

JENKINS, HDB ;

PRATT, KF .

COMPUTER PHYSICS COMMUNICATIONS, 1978, 13 (5-6) :341-348

[5]

JENKINS HDB, 1979, PROG SOLID STATE CH, V12, P125, DOI 10.1016/0079-6786(79)90004-9

[6] SINGLE ION PROPERTIES BY LATTICE ENERGY MINIMIZATION - PERCHLORATE ION, CLO-4(-) [J].

JENKINS, HDB .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1978, 74 :968-981

[7] CONVERGENCE OF THE BERTAUT SERIES AND THE CALCULATION OF THE ELECTROSTATIC ENERGY OF AN EXTENDED CRYSTALLINE LATTICE [J].

JENKINS, HDB ;

PRATT, KF .

CHEMICAL PHYSICS LETTERS, 1979, 62 (03) :416-420

[8]

London F, 1930, Z PHYS CHEM B-CHEM E, V11, P222

[9]

PRATT KF, 1978, THESIS U WARWICK

[10]

Wyckoff R. G, 1965, CRYST STRUCT

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